2,4,6-triphenylpyridin-1-ium perchlorate

C23H18ClNO4 — CID 44888035

IUPAC2,4,6-triphenylpyridin-1-ium perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cc(-c3ccccc3)[nH+]c(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H17N.ClHO4/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20;2-1(3,4)5/h1-17H;(H,2,3,4,5)
InChIKeyZFQMMAQBPGUVCQ-UHFFFAOYSA-N
MW407.85 g/mol
LogP0.75
Rot. Bonds3

About 2,4,6-triphenylpyridin-1-ium perchlorate

2,4,6-triphenylpyridin-1-ium perchlorate (PubChem CID 44888035) has the molecular formula C23H18ClNO4 and a molecular weight of 407.85 g/mol. Its IUPAC name is 2,4,6-triphenylpyridin-1-ium perchlorate.

Molecular Properties

Compound Name2,4,6-triphenylpyridin-1-ium perchlorate
PubChem CID44888035
Molecular FormulaC23H18ClNO4
Molecular Weight407.85 g/mol
Exact Mass407.09
IUPAC Name2,4,6-triphenylpyridin-1-ium perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cc(-c3ccccc3)[nH+]c(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H17N.ClHO4/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20;2-1(3,4)5/h1-17H;(H,2,3,4,5)
InChIKeyZFQMMAQBPGUVCQ-UHFFFAOYSA-N
XLogP0.75
TPSA106.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenylpyridin-1-ium perchlorate?
The IUPAC name of 2,4,6-triphenylpyridin-1-ium perchlorate (CID 44888035) is 2,4,6-triphenylpyridin-1-ium perchlorate.
What is the SMILES notation for 2,4,6-triphenylpyridin-1-ium perchlorate?
The canonical SMILES for 2,4,6-triphenylpyridin-1-ium perchlorate is [O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cc(-c3ccccc3)[nH+]c(-c3ccccc3)c2)cc1.
What is the InChIKey of 2,4,6-triphenylpyridin-1-ium perchlorate?
The InChIKey is ZFQMMAQBPGUVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N.ClHO4/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20;2-1(3,4)5/h1-17H;(H,2,3,4,5).
What are the key properties of 2,4,6-triphenylpyridin-1-ium perchlorate?
2,4,6-triphenylpyridin-1-ium perchlorate has a molecular weight of 407.85 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenylpyridin-1-ium perchlorate is sourced from PubChem (CID 44888035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).